(5R)-2,2,4,4-tetramethyl-5-[(3Z,7E)-3-methylnona-3,7-dienyl]-1,3-dioxolane

C17H30O2 — CID 134901353

IUPAC(5R)-2,2,4,4-tetramethyl-5-[(3Z,7E)-3-methylnona-3,7-dienyl]-1,3-dioxolane
SMILESC/C=C/CC/C=C(/C)CC[C@H]1OC(C)(C)OC1(C)C
InChIInChI=1S/C17H30O2/c1-7-8-9-10-11-14(2)12-13-15-16(3,4)19-17(5,6)18-15/h7-8,11,15H,9-10,12-13H2,1-6H3/b8-7+,14-11-/t15-/m1/s1
InChIKeyBDCPDNASAMLKFG-FICQWJETSA-N
MW266.43 g/mol
LogP5.00
Rot. Bonds6

About (5R)-2,2,4,4-tetramethyl-5-[(3Z,7E)-3-methylnona-3,7-dienyl]-1,3-dioxolane

(5R)-2,2,4,4-tetramethyl-5-[(3Z,7E)-3-methylnona-3,7-dienyl]-1,3-dioxolane (PubChem CID 134901353) has the molecular formula C17H30O2 and a molecular weight of 266.43 g/mol. Its IUPAC name is (5R)-2,2,4,4-tetramethyl-5-[(3Z,7E)-3-methylnona-3,7-dienyl]-1,3-dioxolane.

Molecular Properties

Compound Name(5R)-2,2,4,4-tetramethyl-5-[(3Z,7E)-3-methylnona-3,7-dienyl]-1,3-dioxolane
PubChem CID134901353
Molecular FormulaC17H30O2
Molecular Weight266.43 g/mol
Exact Mass266.22
IUPAC Name(5R)-2,2,4,4-tetramethyl-5-[(3Z,7E)-3-methylnona-3,7-dienyl]-1,3-dioxolane
SMILESC/C=C/CC/C=C(/C)CC[C@H]1OC(C)(C)OC1(C)C
InChIInChI=1S/C17H30O2/c1-7-8-9-10-11-14(2)12-13-15-16(3,4)19-17(5,6)18-15/h7-8,11,15H,9-10,12-13H2,1-6H3/b8-7+,14-11-/t15-/m1/s1
InChIKeyBDCPDNASAMLKFG-FICQWJETSA-N
XLogP5.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-2,2,4,4-tetramethyl-5-[(3Z,7E)-3-methylnona-3,7-dienyl]-1,3-dioxolane?
The IUPAC name of (5R)-2,2,4,4-tetramethyl-5-[(3Z,7E)-3-methylnona-3,7-dienyl]-1,3-dioxolane (CID 134901353) is (5R)-2,2,4,4-tetramethyl-5-[(3Z,7E)-3-methylnona-3,7-dienyl]-1,3-dioxolane.
What is the SMILES notation for (5R)-2,2,4,4-tetramethyl-5-[(3Z,7E)-3-methylnona-3,7-dienyl]-1,3-dioxolane?
The canonical SMILES for (5R)-2,2,4,4-tetramethyl-5-[(3Z,7E)-3-methylnona-3,7-dienyl]-1,3-dioxolane is C/C=C/CC/C=C(/C)CC[C@H]1OC(C)(C)OC1(C)C.
What is the InChIKey of (5R)-2,2,4,4-tetramethyl-5-[(3Z,7E)-3-methylnona-3,7-dienyl]-1,3-dioxolane?
The InChIKey is BDCPDNASAMLKFG-FICQWJETSA-N. The full InChI is InChI=1S/C17H30O2/c1-7-8-9-10-11-14(2)12-13-15-16(3,4)19-17(5,6)18-15/h7-8,11,15H,9-10,12-13H2,1-6H3/b8-7+,14-11-/t15-/m1/s1.
What are the key properties of (5R)-2,2,4,4-tetramethyl-5-[(3Z,7E)-3-methylnona-3,7-dienyl]-1,3-dioxolane?
(5R)-2,2,4,4-tetramethyl-5-[(3Z,7E)-3-methylnona-3,7-dienyl]-1,3-dioxolane has a molecular weight of 266.43 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2,2,4,4-tetramethyl-5-[(3Z,7E)-3-methylnona-3,7-dienyl]-1,3-dioxolane is sourced from PubChem (CID 134901353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).